| SpectraBase Compound ID | 84caOSFtB3X |
|---|---|
| InChI | InChI=1S/C10H12O2/c1-8(7-11)9-4-3-5-10(6-9)12-2/h3-8H,1-2H3 |
| InChIKey | FMKPGKIYGGLNNJ-UHFFFAOYSA-N |
| Mol Weight | 164.2 g/mol |
| Molecular Formula | C10H12O2 |
| Exact Mass | 164.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DVdjTo7TXMc |
|---|---|
| Name | 2-(3-Methoxyphenyl)propanal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.083729624 u |
| Formula | C10H12O2 |
| InChI | InChI=1S/C10H12O2/c1-8(7-11)9-4-3-5-10(6-9)12-2/h3-8H,1-2H3 |
| InChIKey | FMKPGKIYGGLNNJ-UHFFFAOYSA-N |
| Molecular Weight | 164.204 g/mol |
| SMILES | C=1(C=C(OC)C=CC1)C(C=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.937428 |